General Information of the Compound
| Compound ID |
CP0316028
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| Compound Name |
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C20H14F4N6O
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| Molecular Weight |
430.365
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| Canonical SMILES |
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
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| InChI |
InChI=1S/C20H14F4N6O/c21-15-6-5-12(9-14(15)20(22,23)24)28-19(31)27-11-3-1-10(2-4-11)13-7-8-26-18-16(13)17(25)29-30-18/h1-9H,(H2,27,28,31)(H3,25,26,29,30)
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| InChIKey |
KDFQAERRZQLBCW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound